SCHEMBL7702022

SCHEMBL7702022

COC(=O)CN1CCN(CC(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2N)CC1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.56
OPRL1 P41146 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6489329 0.83 TACR1 (0.78) TACR1
SCHEMBL7699844 0.81 TACR1 (0.55) TACR1
SCHEMBL7701982 0.79 TACR1 (0.53) TACR1
SCHEMBL6479336 0.73 TACR1 (0.77) TACR1
SCHEMBL6479029 0.72 TACR1 (1.00) TACR1
SCHEMBL7705827 0.70 TACR1 (0.56) TACR1
SCHEMBL7705392 0.70 TACR1 (0.52) TACR1
SCHEMBL6478531 0.70 TACR1 (0.72) TACR1
SCHEMBL7705810 0.68 TACR1 (0.52) TACR1
SCHEMBL6490118 0.67 TACR1 (0.83) TACR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242399-A1 $g(a)-ARYLETHYLPIPERAZINE DERIVATIVES AS NEUROKININ ANTAGONISTS UCB S.A. (BE) 2002-09-25 EP disclosed
WO-2001046167-A1 α-ARYLETHYLPIPERAZINE DERIVATIVES AS NEUROKININ ANTAGONISTS UCB, S.A. (BE) 2001-06-28 WO disclosed